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4-(2-CARBOXYETHENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-3-BENZOFURAN-CARBOXYLIC-ACID-3-[1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)-ETHYL]-ESTER

View entire compound with spectra: 1 NMR

4-(2-CARBOXYETHENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-3-BENZOFURAN-CARBOXYLIC-ACID-3-[1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)-ETHYL]-ESTER
SpectraBase Compound ID 8SqhBmuLThN
InChI InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(35)36)38-27(37)23-22-13(4-8-21(33)34)2-7-17(30)25(22)39-24(23)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,33,34)(H,35,36)/b8-4+/t20-,23+,24+/m1/s1
InChIKey HHKGQYGYEDKXNE-XPXASJQOSA-N
Mol Weight 538.46 g/mol
Molecular Formula C27H22O12
Exact Mass 538.111126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRgrCRshGvN
Name 4-(2-CARBOXYETHENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-3-BENZOFURAN-CARBOXYLIC-ACID-3-[1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)-ETHYL]-ESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22O12
InChI InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(35)36)38-27(37)23-22-13(4-8-21(33)34)2-7-17(30)25(22)39-24(23)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,33,34)(H,35,36)/b8-4+/t20-,23+,24+/m1/s1
InChIKey HHKGQYGYEDKXNE-XPXASJQOSA-N
Literature Reference Author H.J.LEE,J.Y.CHO,J.H.MOON
Literature Reference Citation FITOTERAPIA,83,1196(2012)
Literature Reference DOI 10.1016/j.fitote.2012.06.015
Molecular Weight 538.464 g/mol
Sample ID 72022
Solvent CD3OD